A3931/0167326
TL;DR: A3931/0167326 (CAS 47674-27-1) is a chemical compound with molecular formula C24H24N2O5 and molecular weight 420.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-8-yl)methyl 2-methylprop-2-enoate
Also Known As: A3931/0167326, (1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-8-yl)methyl 2-methylprop-2-enoate, (1',3',3'-TRIMETHYL-6-NITRO-1',3'-DIHYDROSPIRO[CHROMENE-2,2'-INDOL]-8-YL)METHYL 2-METHYLACRYLATE, 2-Propenoic acid, 2-methyl-, (1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-8-yl)methyl ester, (1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indol]-8-yl)methyl 2-methylprop-2-enoate
| Molecular Formula | C24H24N2O5 |
|---|---|
| Molecular Weight | 420.17 g/mol |
| LogP | 4.7436 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.16852 |
| Heavy Atoms | 31 |
| Complexity | 1150.6538 |
Chemical Identifiers
| CAS Number | 47674-27-1 |
|---|---|
| SMILES | CC(=C)C(=O)OCC1=CC(=CC2=C1OC3(C=C2)C(C4=CC=CC=C4N3C)(C)C)[N+](=O)[O-] |
Product Overview
A3931/0167326 (CAS 47674-27-1), with molecular formula C24H24N2O5 and molecular weight 420.17 g/mol. IUPAC: (1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-8-yl)methyl 2-methylprop-2-enoate.
Chemical Property Profile of A3931/0167326
Property Insights of A3931/0167326
The XLogP value of 4.7436 indicates that A3931/0167326 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for A3931/0167326. Following Lipinski's Rule of Five, A3931/0167326 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3931/0167326?
The CAS number of A3931/0167326 is 47674-27-1.
What is the molecular formula of A3931/0167326?
The molecular formula of A3931/0167326 is C24H24N2O5.
What is the molecular weight of A3931/0167326?
The molecular weight of A3931/0167326 is 420.17 g/mol.
Where can I buy A3931/0167326?
You can request a quote for A3931/0167326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3931/0167326?
Yes, KEHONG BIO provides custom synthesis services for A3931/0167326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.